SCHEMBL20003077

SCHEMBL20003077

Cc1cc([S+]([O-])C2CCN(C(=O)C34CCC(C(=O)O)(CC3)OC4)C2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.48
FPR1 P21462 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
DRD4 P21917 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20002976 0.88 RORC (0.43) RORCHCRTR1HCRTR2DRD4
SCHEMBL20002767 0.80 RORC (0.43) RORC
SCHEMBL20002735 0.78 RORC (0.47) RORC
SCHEMBL20002561 0.76 RORC (0.50) RORC
SCHEMBL20003010 0.76 RORC (0.43) RORCFPR1
SCHEMBL20003094 0.75 TACR3 (0.33) RORCHCRTR1HCRTR2DRD4
SCHEMBL20003110 0.74 RORC (0.41) RORCHCRTR1HCRTR2DRD4
SCHEMBL20003044 0.73 RORC (0.40) RORC
SCHEMBL20003241 0.72 RORC (0.41) RORC
SCHEMBL20002856 0.71 RORC (0.42) RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed